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Date: Fri Jan 8 12:50:08 2021
Subject: 21.01.08 PhD position (m/f/d) in computational chemistry
The Computational Carbon Chemistry (CCC) group at the Heidelberg Institute
for Theoretical Studies (HITS gGmbH) and Heidelberg University seeks to 
fill one PhD position to work on the project entitled Theoretical 
Investigation of Stability and Reactivity of Open-Shell 
N-Heteropolycycles within the collaborative research centre SFB 1249
N-Heteropolycycles as Functional Materials

The Heidelberg Institute for Theoretical Studies was established in 2010 
by the physicist and SAP co-founder Klaus Tschira (1940-2015) and the 
Klaus Tschira Foundation as a private, non-profit research institute. 
It conducts basic research in the natural sciences, mathematics and 
computer science with a focus on the processing, structuring, and 
analysing of large amounts of complex data and the development of 
computational methods and software. The research fields range from 
molecular biology to astrophysics.

We are looking for a highly motivated scientist to join the CCC at HITS
and work on an interdisciplinary research project in collaboration with
theoreticians and experimentalists from Heidelberg University and 
Karlsruhe Institute of Technology. Your research project will focus on the
properties of open-shell nitrogen-containing heteropolycycles and employ a 
combination of quantum chemistry and machine learning with an ultimate
goal to map the established structure-property relationships onto the vast
chemical space of these fascinating species. 

You will work in a dynamic research group and use state-of-the-art 
computational chemistry methods. A generous research budget is available, 
e.g. to attend conferences, as well as a competitive benefits package. 
You will be based at the Heidelberg Institute for Theoretical Studies, 
where you will find first-class research environment and outstanding 
computational infrastructure in a beautiful green setting on the banks of 
the Neckar river. For more information regarding working at HITS see

Successful PhD candidates should have a masters degree in chemistry, 
physics or a related discipline, and an experience in chemical modelling 
and numerical simulations.
To apply, please provide a motivation letter, your CV including a 
publications list, relevant certificates/diplomas, and contact details of
two referees. 

Deadline for applications is February 15, 2021; the earliest starting date
is March 1, 2021, negotiable.

Visit for more details on the
position and application procedure. For more details about the CCC group 
General inquiries should be sent directly to 
Dr. Ganna (Anya) Grynova:
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